orbital_charges     :real:2:4,3
  0.189190982920099E+001  0.127991784087235E+001  0.124545226440153E+001
  0.200000000000000E+001  0.782757815037665E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.799962250487469E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.129247186043374E-001  0.184549839743097E+000 -0.248226012817663E-002
  0.447711219571594E-002 -0.970232764167600E-001 -0.370296019706250E-001
  0.281128965762596E-002 -0.939792275852952E-001  0.371609418006569E-001
forces_ext_charges  :real:2:3,2
  0.563585950331118E-003  0.948147448394561E-002 -0.140547016162878E-002
  0.507273080066434E-002 -0.302881022498736E-002  0.375639045977354E-002
mermin_energy       :real:0:
 -0.397228027624119E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
